Biapenem
(4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
| Molecular Formula | C15H18N4O4S |
|---|---|
| Molecular Weight | 350.4 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 128.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.1049 |
| Heavy Atoms | 24 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 120410-24-4 |
|---|---|
| SMILES | CC1C2C(C(=O)N2C(=C1SC3CN4C=NC=[N+]4C3)C(=O)[O-])C(C)O |
| InChIKey | MRMBZHPJVKCOMA-YJFSRANCSA-N |
📖 Product Overview
Biapenem (CAS: 120410-24-4) is a chemical compound with molecular formula C15H18N4O4S and molecular weight 350.4 g/mol. Its IUPAC systematic name is (4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.
MRMBZHPJVKCOMA-YJFSRANCSA-N.
SMILES: CC1C2C(C(=O)N2C(=C1SC3CN4C=NC=[N+]4C3)C(=O)[O-])C(C)O.
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